BDBM50074181 4-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperazin-1-ylmethyl}-benzonitrile::CHEMBL347665

SMILES: N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1

InChI Key: InChIKey=ZBWYYTCTRHNNTG-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50074181   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50074181 (4-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-prop...) Show SMILES N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C25H27N7/c26-15-20-3-5-21(6-4-20)17-31-12-10-30(11-13-31)9-1-2-22-16-27-25-8-7-23(14-24(22)25)32-18-28-29-19-32/h3-8,14,16,18-19,27H,1-2,9-13,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50074181 (4-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-prop...) Show SMILES N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C25H27N7/c26-15-20-3-5-21(6-4-20)17-31-12-10-30(11-13-31)9-1-2-22-16-27-25-8-7-23(14-24(22)25)32-18-28-29-19-32/h3-8,14,16,18-19,27H,1-2,9-13,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50074181 (4-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-prop...) Show SMILES N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C25H27N7/c26-15-20-3-5-21(6-4-20)17-31-12-10-30(11-13-31)9-1-2-22-16-27-25-8-7-23(14-24(22)25)32-18-28-29-19-32/h3-8,14,16,18-19,27H,1-2,9-13,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells.				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair